methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate

C20H18N2O4 — CID 17016247

IUPACmethyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccccc3OC)c2c1
InChIInChI=1S/C20H18N2O4/c1-12-10-17(22-19(23)14-6-4-5-7-18(14)25-2)15-11-13(20(24)26-3)8-9-16(15)21-12/h4-11H,1-3H3,(H,21,22,23)
InChIKeyKIZKRBQWGKAWOC-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.59
Rot. Bonds4

About methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate

methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate (PubChem CID 17016247) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
PubChem CID17016247
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccccc3OC)c2c1
InChIInChI=1S/C20H18N2O4/c1-12-10-17(22-19(23)14-6-4-5-7-18(14)25-2)15-11-13(20(24)26-3)8-9-16(15)21-12/h4-11H,1-3H3,(H,21,22,23)
InChIKeyKIZKRBQWGKAWOC-UHFFFAOYSA-N
XLogP3.59
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016225
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide
CID 43860367
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate
CID 17016338
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate?
The IUPAC name of methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate (CID 17016247) is methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate is COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccccc3OC)c2c1.
What is the InChIKey of methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate?
The InChIKey is KIZKRBQWGKAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-10-17(22-19(23)14-6-4-5-7-18(14)25-2)15-11-13(20(24)26-3)8-9-16(15)21-12/h4-11H,1-3H3,(H,21,22,23).
What are the key properties of methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate?
methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 17016247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).